>compound Adenosine 3',5'-cyclicmonophosphate_Adenosine 3',5'-cyclicmonophosphate
#instrument UPLC Q-Tof Premier, Waters
>formula C10H12N5O6P
#smiles Nc(n4)c(n3)c(nc4)n(c3)[C@H](O1)[C@H](O)[C@H](O2)[C@@H](COP(O)(=O)2)1
#RECORD LC-ESI-QTOF_train_data/PR100101.txt;LC-ESI-QTOF_train_data/PR100531.txt;LC-ESI-QTOF_train_data/PR100100.txt
>charge 1
>ionization [M+H]+
>parentmass 330.06032

>collision 30
136.0648 125.0
329.8857 20.53
329.9749 34.6
330.0603 375.1

>collision 5-60
78.9723 2151.0
107.0534 805.3
134.0678 8146.0
328.0948 4390.0

>collision 5-60
136.0632 90.97
329.8911 25.19
330.0603 960.5

